%chk=000051401.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051401

0 1
 O    10.44980      0.4596000      0.8905000    
 N   -2.477800      0.3902000      -1.345500    
 N   -5.661400     -0.9479000       1.030000    
 N    10.92670      -1.750200      0.4713000    
 C    5.329200      0.9921000      0.1047000    
 C    3.887400      0.6009000     -0.2345000    
 C    6.263400     -0.2176000      3.0600000E-02
 C    2.909600       1.777900     -0.1437000    
 C    7.708700      0.1768000      0.3366000    
 C    1.482300       1.410200     -0.4620000    
 C    8.646800      -1.023000      0.2308000    
 C   -3.547500     -5.9500001E-02 -0.5474000    
 C   -1.142800      0.7347000      -1.047600    
 C    1.032900       1.496500      -1.770900    
 C   0.6427000      0.9923000      0.5595000    
 C   -3.743700      -1.435100     -0.3389000    
 C   -4.424200      0.8652000      4.4799998E-02
 C  -0.2875000       1.156700      -2.065500    
 C  -0.6776000      0.6524000      0.2647000    
 C   -4.823700      -1.838400      0.4645000    
 C   -5.477400      0.3719000      0.8332000    
 C    10.08120     -0.6658000      0.5673000    
 C   -2.888000      -2.390700     -0.9143000    
 C   -4.260400       2.249200     -0.1402000    
 C   -5.014400      -3.202400      0.6684000    
 C   -6.343600       1.291800       1.418200    
 C   -3.100500      -3.748400     -0.6947000    
 C   -5.140300       3.147800      0.4556000    
 C   -4.166000      -4.154800      9.8300003E-02
 C   -6.184000       2.667700       1.236300    
 H    5.669700       1.767000     -0.5925000    
 H    5.365000       1.423500       1.112300    
 H    3.855200      0.1776000      -1.246700    
 H    3.559500     -0.1959000      0.4455000    
 H    5.931700     -0.9835000      0.7421000    
 H    6.209300     -0.6612000     -0.9711000    
 H    2.952900       2.214400      0.8630000    
 H    3.235700       2.578900     -0.8203000    
 H    8.034900      0.9604000     -0.3587000    
 H    7.767000      0.6056000       1.344900    
 H    8.623300      -1.429300     -0.7874000    
 H    8.322500      -1.814300      0.9173000    
 H    1.692100       1.822000      -2.570700    
 H   0.9965000      0.9231000       1.584200    
 H   -2.727000      0.4832000      -2.326000    
 H  -0.6368000       1.224600      -3.092700    
 H   -1.322400      0.3261000       1.076300    
 H   -2.048200      -2.107900      -1.543500    
 H   -3.457800       2.658500     -0.7483000    
 H   -5.842400      -3.546100       1.285900    
 H   -7.169300      0.9404000       2.034500    
 H   -2.439000      -4.484600      -1.141100    
 H   -5.012400       4.216100      0.3103000    
 H   -4.340900      -5.211900      0.2757000    
 H   -6.876500       3.360400       1.705500    
 H    10.59850      -2.672300      0.2023000    
 H    11.91770      -1.658400      0.6691000    


%chk=000051401-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051401

0 1
O 10.727216 0.745771 -0.196061
N -2.455486 -0.204846 -1.454054
N -5.832033 -0.825683 1.150639
N 11.142480 -0.855104 1.426918
C 5.385318 1.102639 -0.110712
C 3.943066 0.607620 -0.355981
C 6.401792 -0.046911 0.071118
C 2.928507 1.773022 -0.526729
C 7.841227 0.458609 0.308892
C 1.504652 1.292599 -0.760034
C 8.852405 -0.692479 0.505387
C -3.532527 -0.387096 -0.562083
C -1.158188 0.316093 -1.188750
C 0.976203 1.154810 -2.068916
C 0.668400 0.923810 0.326148
C -4.242722 -1.636013 -0.589668
C -3.996176 0.651566 0.314000
C -0.334102 0.682114 -2.286735
C -0.638044 0.435624 0.128066
C -5.410170 -1.788379 0.271248
C -5.137444 0.356883 1.177493
C 10.303244 -0.192053 0.541619
C -3.844494 -2.751838 -1.406240
C -3.444984 1.980465 0.340378
C -6.156011 -3.018631 0.221511
C -5.603157 1.372138 2.086660
C -4.586477 -3.931735 -1.423276
C -3.939537 2.944291 1.215735
C -5.763870 -4.061630 -0.611729
C -5.016476 2.632781 2.113937
H 5.704724 1.741930 -0.960031
H 5.401731 1.752901 0.789153
H 3.914993 -0.032972 -1.260671
H 3.619310 -0.033787 0.488942
H 6.082280 -0.685653 0.921628
H 6.385006 -0.696656 -0.829232
H 2.970138 2.408817 0.380354
H 3.257896 2.407141 -1.373510
H 8.179916 1.072758 -0.546378
H 7.861919 1.122013 1.196660
H 8.770271 -1.393898 -0.350612
H 8.612288 -1.273065 1.417902
H 1.594248 1.434361 -2.931077
H 1.049527 1.015775 1.350983
H -2.551352 -0.674194 -2.356833
H -0.728181 0.608643 -3.308228
H -1.251322 0.144813 0.986251
H -2.923504 -2.695856 -1.998366
H -2.631426 2.239008 -0.342004
H -7.034297 -3.090706 0.870306
H -6.445156 1.106699 2.733234
H -4.262215 -4.773229 -2.045270
H -3.509744 3.951924 1.214885
H -6.340059 -4.992981 -0.639807
H -5.384229 3.398817 2.805579
H 10.808019 -1.600514 2.034411
H 12.125302 -0.584026 1.462949


